UCSF

ZINC71924042

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2012 33 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.14 10.32 -50.02 3 6 1 66 443.571 7
Mid Mid (pH 6-8) 3.14 10.33 -49.61 3 6 1 66 443.571 7
Mid Mid (pH 6-8) 3.14 8.06 -18.19 2 6 0 65 442.563 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )